methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate

C7H10N2O3S2 — CID 156531143

IUPACmethyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
SMILESCN=S(N)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C7H10N2O3S2/c1-9-14(8,11)5-3-4-13-6(5)7(10)12-2/h3-4H,1-2H3,(H2,8,9,11)
InChIKeyNUHAZEBLXKFYEN-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.87
Rot. Bonds2

About methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate

methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate (PubChem CID 156531143) has the molecular formula C7H10N2O3S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
PubChem CID156531143
Molecular FormulaC7H10N2O3S2
Molecular Weight234.30 g/mol
Exact Mass234.01
IUPAC Namemethyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
SMILESCN=S(N)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C7H10N2O3S2/c1-9-14(8,11)5-3-4-13-6(5)7(10)12-2/h3-4H,1-2H3,(H2,8,9,11)
InChIKeyNUHAZEBLXKFYEN-UHFFFAOYSA-N
XLogP0.87
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
methyl 3-[(2-amino-2-oxoethoxy)sulfamoyl]thiophene-2-carboxylate
CID 112673568
methyl 3-[[(2R)-3,3-dimethylbutan-2-yl]-methylsulfamoyl]thiophene-2-carboxylate
CID 35394475
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038
methyl 3-[azetidin-3-yl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 66185946

Frequently Asked Questions

What is the IUPAC name of methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate (CID 156531143) is methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate is CN=S(N)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate?
The InChIKey is NUHAZEBLXKFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S2/c1-9-14(8,11)5-3-4-13-6(5)7(10)12-2/h3-4H,1-2H3,(H2,8,9,11).
What are the key properties of methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate?
methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate is sourced from PubChem (CID 156531143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).